15-azatetracyclo[6.6.1.02,7.011,15]pentadeca-1(14),2,4,6,8,10,12-heptaen-10-ylmethyl formate

C16H11NO2 — CID 121444415

IUPAC15-azatetracyclo[6.6.1.02,7.011,15]pentadeca-1(14),2,4,6,8,10,12-heptaen-10-ylmethyl formate
SMILESO=COCc1cc2c3ccccc3c3cccc1n32
InChIInChI=1S/C16H11NO2/c18-10-19-9-11-8-16-13-5-2-1-4-12(13)15-7-3-6-14(11)17(15)16/h1-8,10H,9H2
InChIKeyQFVDEGMRRNHIEX-UHFFFAOYSA-N
MW249.27 g/mol
LogP3.36
Rot. Bonds3

About 15-azatetracyclo[6.6.1.02,7.011,15]pentadeca-1(14),2,4,6,8,10,12-heptaen-10-ylmethyl formate

15-azatetracyclo[6.6.1.02,7.011,15]pentadeca-1(14),2,4,6,8,10,12-heptaen-10-ylmethyl formate (PubChem CID 121444415) has the molecular formula C16H11NO2 and a molecular weight of 249.27 g/mol. Its IUPAC name is 15-azatetracyclo[6.6.1.02,7.011,15]pentadeca-1(14),2,4,6,8,10,12-heptaen-10-ylmethyl formate.

Molecular Properties

Compound Name15-azatetracyclo[6.6.1.02,7.011,15]pentadeca-1(14),2,4,6,8,10,12-heptaen-10-ylmethyl formate
PubChem CID121444415
Molecular FormulaC16H11NO2
Molecular Weight249.27 g/mol
Exact Mass249.08
IUPAC Name15-azatetracyclo[6.6.1.02,7.011,15]pentadeca-1(14),2,4,6,8,10,12-heptaen-10-ylmethyl formate
SMILESO=COCc1cc2c3ccccc3c3cccc1n32
InChIInChI=1S/C16H11NO2/c18-10-19-9-11-8-16-13-5-2-1-4-12(13)15-7-3-6-14(11)17(15)16/h1-8,10H,9H2
InChIKeyQFVDEGMRRNHIEX-UHFFFAOYSA-N
XLogP3.36
TPSA30.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.27
LogP ≤ 53.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 15-azatetracyclo[6.6.1.02,7.011,15]pentadeca-1(14),2,4,6,8,10,12-heptaen-10-ylmethyl formate?
The IUPAC name of 15-azatetracyclo[6.6.1.02,7.011,15]pentadeca-1(14),2,4,6,8,10,12-heptaen-10-ylmethyl formate (CID 121444415) is 15-azatetracyclo[6.6.1.02,7.011,15]pentadeca-1(14),2,4,6,8,10,12-heptaen-10-ylmethyl formate.
What is the SMILES notation for 15-azatetracyclo[6.6.1.02,7.011,15]pentadeca-1(14),2,4,6,8,10,12-heptaen-10-ylmethyl formate?
The canonical SMILES for 15-azatetracyclo[6.6.1.02,7.011,15]pentadeca-1(14),2,4,6,8,10,12-heptaen-10-ylmethyl formate is O=COCc1cc2c3ccccc3c3cccc1n32.
What is the InChIKey of 15-azatetracyclo[6.6.1.02,7.011,15]pentadeca-1(14),2,4,6,8,10,12-heptaen-10-ylmethyl formate?
The InChIKey is QFVDEGMRRNHIEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H11NO2/c18-10-19-9-11-8-16-13-5-2-1-4-12(13)15-7-3-6-14(11)17(15)16/h1-8,10H,9H2.
What are the key properties of 15-azatetracyclo[6.6.1.02,7.011,15]pentadeca-1(14),2,4,6,8,10,12-heptaen-10-ylmethyl formate?
15-azatetracyclo[6.6.1.02,7.011,15]pentadeca-1(14),2,4,6,8,10,12-heptaen-10-ylmethyl formate has a molecular weight of 249.27 g/mol, XLogP of 3.36, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 15-azatetracyclo[6.6.1.02,7.011,15]pentadeca-1(14),2,4,6,8,10,12-heptaen-10-ylmethyl formate is sourced from PubChem (CID 121444415), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).